非参数异方差回归模型的局部多项式估计——基于农村居民消费与收入的实证分析

本文主要研究非参数异方差回归模型的局部多项式估计问题.首先利用局部线性逼近的技巧,得到了回归均值函数的局部极大似然估计.然后,考虑到回归方差函数的非负性,利用局部对数多项式拟合,得到了方差函数的局部多项式估计,保证了估计量的非负性,并证明了估计量的渐近性质.最后,通过对农村居民消费与收入的实证研究,说明了非参数异方差回归模型的局部多项式方法比普通最小二乘估计法的拟合效果更好,并且预测的精度更高.     

On the noise limit of stress and temperature measurements with micro‐Raman spectroscopy

We report for the first time on the thorough experimental and theoretical assessment of the noise limit of mechanical stress and temperature measurements with micro‐Raman spectroscopy. A comprehensive study has been performed in which, for different incident laser light intensities and acquisition times, 1000 Raman spectra of mono‐crystalline silicon were acquired per setting. Curve fitting was employed to obtain the peak positions of all the spectra, from which the standard deviations of the measured peak positions were obtained versus the total accumulated amount of laser light incident on the sample during one measurement. It has been found that the noise in the obtained peak position decreases as 1/sqrt(n) over more than three decades of the incident amount of laser light. At very low light conditions, the noise decreases as 1/n. By comparing the experimental results obtained to recent theoretical work, we show that the acquisition is limited by photon shot noise over most of the range and is limited by electronic detector noise at very low light conditions only. Pixelation errors do not play a role. It is concluded that the low electronic noise of typical Raman spectroscope detectors is overkill for the investigation of mechanical stress and temperature in silicon and other materials with comparable peaks, as it has absolutely no influence on the noise level of such an experiment. Maximum Raman signal intensity on the detector and high quantum efficiency detection are more important. Copyright © 2013 John Wiley & Sons, Ltd.     

Continuous Wavelet Transform to Improve Resolution of Overlapped Peaks Based on Curve Fitting

An improved curve fitting for the resolution of the overlapped peaks was proposed. The main work is to use the continuous wavelet transform (CWT) to sharpen peaks and get reasonable initial estimates for the parameters of each peak. As a result, the fitted condition was improved and accurate results could be acquired. To verify the suggested method, separation of several kinds of overlapping peaks simulated by computer and the experimental voltammogram have been performed and are discussed.     

New open modified Newton Cotes type formulae as multilayer symplectic integrators

New modified open Newton Cotes integrators are introduced in this paper. For the new proposed integrators the connection between these new algorithms, differential methods and symplectic integrators is studied. Much research has been done on one step symplectic integrators and several of them have obtained based on symplectic geometry. However, the research on multistep symplectic integrators is very poor. Zhu et al. [1] studied the well known open Newton Cotes differential methods and they presented them as multilayer symplectic integrators. Chiou and Wu [2] studied the development of multistep symplectic integrators based on the open Newton Cotes integration methods. In this paper we introduce a new open modified numerical method of Newton Cotes type and we present it as symplectic multilayer structure. The new obtained symplectic schemes are applied for the solution of Hamilton’s equations of motion which are linear in position and momentum. An important remark is that the Hamiltonian energy of the system remains almost constant as integration proceeds. We have applied also efficiently the new proposed method to a nonlinear orbital problem and an almost periodic orbital problem.     

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Stress tensor

A full implementation of the analytical stress tensor for periodic systems is reported in the TURBOMOLE program package within the framework of Kohn–Sham density functional theory using Gaussian-type orbitals as basis functions. It is the extension of the implementation of analytical energy gradients (Lazarski et al., Journal of Computational Chemistry 2016, 37, 2518–2526) to the stress tensor for the purpose of optimization of lattice vectors. Its key component is the efficient calculation of the Coulomb contribution by combining density fitting approximation and continuous fast multipole method. For the exchange-correlation (XC) part the hierarchical numerical integration scheme (Burow and Sierka, Journal of Chemical Theory and Computation 2011, 7, 3097–3104) is extended to XC weight derivatives and stress tensor. The computational efficiency and favorable scaling behavior of the stress tensor implementation are demonstrated for various model systems. The overall computational effort for energy gradient and stress tensor for the largest systems investigated is shown to be at most two and a half times the computational effort for the Kohn–Sham matrix formation. © 2019 Wiley Periodicals, Inc.     

基于室温脉冲量子级联激光器的NO气体检测中的光谱处理方法研究

报导了采用基于室温脉冲量子级联激光器的脉内光谱检测技术,利用中心波长为1904 cm^-1的量子级联激光器,在实验室对NO气体样品进行检测的研究结果. 针对单线直接吸收光谱反演算法进行了研究,介绍了基线拟合的最小二乘算法以获取其吸光度,根据HITRAN数据库中相应吸收谱线的吸收线强,采用扫描积分实现了气体浓度的反演,避免了标气标定造成的误差及污染;通过拟合残差分析得到了系统的检测限,达到34×10^-6 m. 关键词： 量子级联激光器 中红外 多项式拟合 扫描积分     

基于无约束非线性优化算法的光强自相关函数拟合

在光子相关光谱(PCS)颗粒测量技术中非线性累积反演方法是一种重要的算法。采用无约束非线性优化算法对反演过程中相关曲线的拟合问题进行了分析和研究, 实现了从任意初始值开始获取最优非线性拟合解, 并给出了算法的实现步骤。采用此方法对50 nm, 100 nm, 200 nm和500 nm的标准聚苯乙烯乳胶颗粒的实测光强自相关函数数据进行了拟合, 并反演了颗粒粒径, 与其他曲线拟合算法相比, 本算法不但对初始值的依赖性小, 而且得到的颗粒粒径更接近乳胶颗粒的标称直径, 测量误差更小。     

Exciplex emission in the blend of two blue luminescent materials

Organic light-emitting diodes (OLEDs) based on the blend of two blue luminescent materials N,N′-bis(1-naphthyl)-N,N′-diphenyl-1,1′-diphenyl-4,4′-diamine (NPB) and 2-(4-biphenylyl)-5(4-tert-butyl-phenyl)-1,3,4-oxadiazole (PBD) were fabricated. The electroluminescence (EL) spectra of this device showed a new emission that is different from their intrinsic exciton emission. Compared with the photoluminescence (PL) spectra of single layer NPB and PBD, respectively, there was an apparent red shift in that of their blend. Thus the exciplex formation in the blend can be concluded due to the similar emission in both PL and EL spectra. The exciplex formation process and the effect of applied voltage were analyzed by Gaussian fitting.     

20单元双压电片变形反射镜的影响函数有限元分析和实验测量

影响函数是分析双压电片变形反射镜像差校正能力的重要参量,通过建立有限元模型预测实际器件的影响函数,以有限元模型的不断优化替代实际器件的尝试性改进,可以减小构造的盲目性,从而节约研发成本,缩短双压电片变形镜的实用化进程.采用Veeco干涉仪测量了20单元双压电片变形反射镜的影响函数,同时建立有限元模型进行了相应计算,并将计算结果与实际器件的测量数据进行了对比分析.结果表明,相对于实测数据而言,有限元模型计算得出的影响函数在量值上略有偏小,但其形状和峰值位置与测量数据一致性好,两者对前35项泽尼克像差的拟合曲线也基本吻合,各项拟合误差系数之差皆小于0.1.这说明通过不断改进有限元模型实现对实际器件的优化设计是切实可行的.     

一种破译混沌直接序列扩频保密通信的方法

提出了一种新型的混沌保密通信破译方法,并破译了混沌直接序列扩频保密通信(简称混沌直扩).针对混沌直扩信号中只有一个混沌吸引子的特点,基于混沌系统广义同步的思想,提出了混沌拟合方法;针对混沌直扩中混沌实值序列和数字信号相乘的特点,充分利用混沌直扩的基本原理和信息码是慢变信号的特性,提出了用无先导卡尔曼滤波混沌拟合的方法估计信息码的破译方法;进一步针对无先导卡尔曼滤波的过程噪声和混沌拟合的拟合误差共同导致的跟踪误差,提出了跟踪误差控制因子的方法,从而将跟踪误差转变成有利因素并加以利用,根据跟踪误差的值域范围破